Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL193301

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(SCCc2ccccc2)c(OC)cc1CC(C)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL193301
Phase Preclinical
Structure Type MOL
InChI Key DLCYMWYHXKNVOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
3.93
ALogP
4
HBA
1
HBD
44.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25NO2S
MW 331.48
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
15801832 10.1021/jm0493109 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine